Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P51878
UPID:
CASP5_HUMAN
Alternative names:
ICE(rel)-III; Protease ICH-3; Protease TY
Alternative UPACC:
P51878; B4DKP5; Q0QVY7; Q0QVY8; Q0QVZ0; Q0QVZ1; Q0QVZ2; Q14DD6; Q1HBJ3; Q6DJV7
Background:
Caspase-5, known by alternative names such as ICE(rel)-III, Protease ICH-3, and Protease TY, is a thiol protease pivotal in programmed cell death. It plays a crucial role in initiating pyroptosis, a specific form of lytic cell death, by cleaving Gasdermin-D. This action releases a fragment that forms membrane pores, leading to cell death. Additionally, Caspase-5 is involved in non-canonical inflammasome activation, cutting CGAS, which may influence antiviral immune responses.
Therapeutic significance:
Understanding the role of Caspase-5 could open doors to potential therapeutic strategies.